5-[cyclohexyl(pyridin-2-yl)methyl]-3-ethyl-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: 5-[cyclohexyl(pyridin-2-yl)methyl]-3-ethyl-2-nitro-benzene-1,4-dicarboxamide Openeye Name: 5-[cyclohexyl(2-pyridyl)methyl]-3-ethyl-2-nitro-terephthalamide CAS Name: 5-[cyclohexyl(2-pyridinyl)methyl]-3-ethyl-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 5-[cyclohexyl(pyridin-2-yl)methyl]-3-ethyl-2-nitrobenzene-1,4-dicarboxamide Traditional Name: 5-[cyclohexyl(2-pyridyl)methyl]-3-ethyl-2-nitro-terephthalamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC(=C1C(=O)N)C(C2CCCCC2)C3=CC=CC=N3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC(=C1C(=O)N)C(C2CCCCC2)C3=CC=CC=N3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-2-14-19(22(24)28)15(12-16(21(23)27)20(14)26(29)30)18(13-8-4-3-5-9-13)17-10-6-7-11-25-17/h6-7,10-13,18H,2-5,8-9H2,1H3,(H2,23,27)(H2,24,28)